Betaine

Betaine

SCHEMBL821050

C=C(C)C(=O)OC(C)[N+](C)(C)CCCS(=O)(=O)O.C[N+](C)(C)CC(=O)O

nearest known ligand 0.34

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

BHMTBHMT2

The experimentally established mechanism targets of Betaine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
APEX1 P27695 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4048487 0.91 TSHR (0.34) TSHR
Water SCHEMBL462687 0.90 TSHR (0.33) TSHR
SCHEMBL23794910 0.87 TSHR (0.33) TSHR
Betaine SCHEMBL3693558 0.83 TSHR (0.33) TSHRALDH1A1LMNAAPEX1
Betaine SCHEMBL135768 0.83 TSHR (0.34) TSHRALDH1A1LMNAAPEX1
Betaine SCHEMBL907529 0.83 TSHR (0.34) TSHRALDH1A1LMNAAPEX1
SCHEMBL23794907 0.83 TSHR (0.36) TSHRALDH1A1
Betaine SCHEMBL3113299 0.81 TSHR (0.45) TSHRALDH1A1LMNAAPEX1
Betaine SCHEMBL10908499 0.79 TSHR (0.37) TSHRALDH1A1LMNAAPEX1
Betaine SCHEMBL17603223 0.77 TSHR (0.30) TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 231 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3074116-A1 FABRICATION AND MODIFICATION OF POLYMER MEMBRANES USING INK-JET PRINTING B.G. Negev Technologies and Applications Ltd. (IL) 2016-10-05 EP claimed
US-20160263530-A1 FABRICATION AND MODIFICATION OF POLYMER MEMBRANES USING INK-JET PRINTING B.G. NEGEV TECHNOLOGIES AND APPLICATIONS LTD (IL) 2016-09-15 US claimed
US-9196405-B2 Stable iron oxide nanoparticles and method of production FLORIDA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2015-11-24 US claimed
US-9056125-B2 Films for controlled cell growth and adhesion FLORIDA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2015-06-16 US claimed
WO-2015079442-A1 FABRICATION AND MODIFICATION OF POLYMER MEMBRANES USING INK-JET PRINTING B. G. NEGEV TECHNOLOGIES AND APPLICATIONS LTD (IL) 2015-06-04 WO claimed
US-20130256583-A1 Stable Iron Oxide Nanoparticles and Method of Production FLORIDA STATE UNIVERSITY RESEARCH FOUNDATION, INC. 2013-10-03 US claimed
US-7618693-B2 Containing zwitterion copolymer; colorfastness, photostability CIBA SPECIALTY CHEMICALS CORP. (US) 2009-11-17 US claimed
US-20090202816-A1 STABILIZED SILICA COLLOID FLORIDA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2009-08-13 US claimed
US-7544402-B2 Containing zwitterion copiolymer; colorfastness, photostability CIBA SPECIALTY CHEMICALS CORPORATION (US) 2009-06-09 US claimed
US-7544401-B2 Ink jet recording medium CIBA SPECIALTY CHEMICALS CORPORATION (US) 2009-06-09 US claimed
US-6709551-B2 FOR PAPERMAKING; ADJUSTMENT OF CONFINING, DRAINAGE OF FIBROUS SUSPENSION ONDEO NALCO COMPANY 2004-03-23 US claimed
US-20030155091-A1 High molecular weight cationic and anionic polymers comprising zwitterionic monomers ECOLAB USA INC. 2003-08-21 US claimed
US-6590051-B1 Polyampholytes used to increase retention and drainage in fiber suspensions or pulps used in papermaking; clarification ONDEO NALCO COMPANY 2003-07-08 US claimed
US-20030116317-A1 Composition and method for recovering hydrocarbon fluids from a subterranean reservoir HARBISON-FISCHER, INC. 2003-06-26 US claimed
WO-2003037641-A2 INK JET RECORDING MEDIUM CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-05-08 WO claimed
JP-2003504476-A 2003-02-04 JP claimed
EP-1198503-A1 HIGH MOLECULAR WEIGHT ZWITTERIONIC POLYMERS NALCO CHEMICAL COMPANY (US) 2002-04-24 EP claimed
US-6335005-B1 Aqueous cosmetic compounds BASF AKTIENGESELLSCHAFT (DE) 2002-01-01 US claimed
US-6313246-B1 UNSATURATED QUATERNARY AMMONIUM OR SULFONIUM SALT AND NONIONIC MONOMERS ; WATER IN OIL EMULSION, DISPERSION OR GEL; PAPERMAKING NALCO CHEMICAL COMPANY 2001-11-06 US claimed
WO-2001004201-A1 HIGH MOLECULAR WEIGHT ZWITTERIONIC POLYMERS NALCO CHEMICAL COMPANY (US) 2001-01-18 WO claimed